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Analytic evaluation of multicenter integrals for gaussian-type orbitals

✍ Scribed by Klaus Brinkmann; Heinz Kleindienst

Publisher
Springer
Year
1991
Tongue
English
Weight
466 KB
Volume
6
Category
Article
ISSN
0259-9791

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πŸ“œ SIMILAR VOLUMES

Molecular integrals of relativistic effe
Molecular integrals of relativistic effects with gaussian-type orbitals
✍ Osamu Matsuoka πŸ“‚ Article πŸ“… 1973 πŸ› John Wiley and Sons 🌐 English βš– 631 KB

## Abstract A mathematical analysis is presented of molecular integrals of relativistic interactions in molecules. The integrals are based on Gaussian‐type orbitals and include those arising from variation of electron mass with velocity, one‐electron Fermi contact interaction, electron spin‐same‐or

Multicenter and multiparticle integrals
Multicenter and multiparticle integrals for explicitly correlated cartesian gaussian-type functions
✍ Pawel M. Kozlowski; Ludwik Adamowicz πŸ“‚ Article πŸ“… 1992 πŸ› John Wiley and Sons 🌐 English βš– 804 KB

## Abstract An analytical derivation of multicenter and multiparticle integrals for explicitly correlated Cartesian Gaussian‐type cluster functions is demonstrated. The evaluation method is based on the application of raising operators that transform spherical cluster Gaussian functions into Cartes